Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
AZD5904 is a potent and irreversible inhibitor of human Myeloperoxidase (MPO, IC50: 140 nM) which has similar potency in mouse and rat.
| Sonrisas canónicas | C1CC(OC1)CN2C3=C(C(=O)NC2=S)NC=N3 |
|---|---|
| IUPAC Name | 3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one |
| InChIKey | RSPDBEVKURKEII-ZCFIWIBFSA-N |
| INCHI | 1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1 |
| Isómeros SMILES | C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3 |
| CAS alternativo | 618913-30-7 |
| PubChem CID | 10264211 |
| Peso molecular | 252.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioxanthines |
| Alternative Parents | 6-oxopurines 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Vinylogous amides Heteroaromatic compounds Imidazoles Oxolanes Lactams Thioureas Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thioxanthine - 6-oxopurine - Purinone - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Azole - Imidazole - Oxolane - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Oxacycle - Ether - Dialkyl ether - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group. |
| External Descriptors | Not available |
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| Solubilidad | DMSO: 2 mg/mL, clear |
|---|---|
| Peso molecular | 252.300 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.068 Da |
| Monoisotopic Mass | 252.068 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 351.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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